General Information of the Compound
| Compound ID |
CP0475703
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| Compound Name |
3-[5-[[3-(3-chlorophenyl)phenyl]carbamoyl]-1,3,4-thiadiazol-2-yl]propanoic acid
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| Structure |
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| Formula |
C18H14ClN3O3S
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| Molecular Weight |
387.848
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| Canonical SMILES |
OC(=O)CCc1nnc(s1)C(=O)Nc1cccc(c1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C18H14ClN3O3S/c19-13-5-1-3-11(9-13)12-4-2-6-14(10-12)20-17(25)18-22-21-15(26-18)7-8-16(23)24/h1-6,9-10H,7-8H2,(H,20,25)(H,23,24)
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| InChIKey |
BFPHGTJOAXVIST-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound